1-(4-methylbenzoyl)-N-[3-[(3R)-oxolan-3-yl]propyl]piperidine-4-carboxamide

C21H30N2O3 — CID 125179458

IUPAC1-(4-methylbenzoyl)-N-[3-[(3R)-oxolan-3-yl]propyl]piperidine-4-carboxamide
SMILESCc1ccc(C(=O)N2CCC(C(=O)NCCC[C@@H]3CCOC3)CC2)cc1
InChIInChI=1S/C21H30N2O3/c1-16-4-6-19(7-5-16)21(25)23-12-8-18(9-13-23)20(24)22-11-2-3-17-10-14-26-15-17/h4-7,17-18H,2-3,8-15H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyZMRPMCXICUDCLG-QGZVFWFLSA-N
MW358.48 g/mol
LogP2.78
Rot. Bonds6

About 1-(4-methylbenzoyl)-N-[3-[(3R)-oxolan-3-yl]propyl]piperidine-4-carboxamide

1-(4-methylbenzoyl)-N-[3-[(3R)-oxolan-3-yl]propyl]piperidine-4-carboxamide (PubChem CID 125179458) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 1-(4-methylbenzoyl)-N-[3-[(3R)-oxolan-3-yl]propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methylbenzoyl)-N-[3-[(3R)-oxolan-3-yl]propyl]piperidine-4-carboxamide
PubChem CID125179458
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name1-(4-methylbenzoyl)-N-[3-[(3R)-oxolan-3-yl]propyl]piperidine-4-carboxamide
SMILESCc1ccc(C(=O)N2CCC(C(=O)NCCC[C@@H]3CCOC3)CC2)cc1
InChIInChI=1S/C21H30N2O3/c1-16-4-6-19(7-5-16)21(25)23-12-8-18(9-13-23)20(24)22-11-2-3-17-10-14-26-15-17/h4-7,17-18H,2-3,8-15H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyZMRPMCXICUDCLG-QGZVFWFLSA-N
XLogP2.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylbenzoyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]piperidine-4-carboxamide
CID 124841294
N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]cyclohexanecarboxamide
CID 46378930
1-(4-chlorobenzoyl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 30532268
N-(3-anilino-3-oxopropyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 131908404
1-(4-methylbenzoyl)-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 94794763
1-(4-methoxybenzoyl)-N-pentylpiperidine-4-carboxamide
CID 113005591
1-[4-(aminomethyl)benzoyl]-N-pentylpiperidine-4-carboxamide
CID 119287815
4-N-benzyl-4-N-methyl-1-N-[3-[(3R)-oxolan-3-yl]propyl]piperidine-1,4-dicarboxamide
CID 126441118
[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 2741000
N-(3-hydroxypropyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 78854527
1-(4-fluorobenzoyl)-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide
CID 124614187
ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
CID 176553137

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylbenzoyl)-N-[3-[(3R)-oxolan-3-yl]propyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-methylbenzoyl)-N-[3-[(3R)-oxolan-3-yl]propyl]piperidine-4-carboxamide (CID 125179458) is 1-(4-methylbenzoyl)-N-[3-[(3R)-oxolan-3-yl]propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methylbenzoyl)-N-[3-[(3R)-oxolan-3-yl]propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methylbenzoyl)-N-[3-[(3R)-oxolan-3-yl]propyl]piperidine-4-carboxamide is Cc1ccc(C(=O)N2CCC(C(=O)NCCC[C@@H]3CCOC3)CC2)cc1.
What is the InChIKey of 1-(4-methylbenzoyl)-N-[3-[(3R)-oxolan-3-yl]propyl]piperidine-4-carboxamide?
The InChIKey is ZMRPMCXICUDCLG-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-16-4-6-19(7-5-16)21(25)23-12-8-18(9-13-23)20(24)22-11-2-3-17-10-14-26-15-17/h4-7,17-18H,2-3,8-15H2,1H3,(H,22,24)/t17-/m1/s1.
What are the key properties of 1-(4-methylbenzoyl)-N-[3-[(3R)-oxolan-3-yl]propyl]piperidine-4-carboxamide?
1-(4-methylbenzoyl)-N-[3-[(3R)-oxolan-3-yl]propyl]piperidine-4-carboxamide has a molecular weight of 358.48 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylbenzoyl)-N-[3-[(3R)-oxolan-3-yl]propyl]piperidine-4-carboxamide is sourced from PubChem (CID 125179458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).